Information card for entry 4316430

Structure parameters

• Formula: C29 H30 Cl9 Fe N4 Sb
• Calculated formula: C29 H30 Cl9 Fe N4 Sb
• Title of publication: Structural and Magnetic Effects of meso-Substitution in Alkyl-Substituted Metalloporphyrinate π-Cation Radicals: Characterization of [Fe(TalkylP.)(Cl)]SbCl6 (alkyl = ethyl andn-propyl)
• Authors of publication: Ming Li; Teresa J. Neal; Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8078 - 8085
• a: 9.768 ± 0.002 Å
• b: 13.585 ± 0.003 Å
• c: 14.508 ± 0.003 Å
• α: 76.9 ± 0.03°
• β: 87.32 ± 0.03°
• γ: 71.77 ± 0.03°
• Cell volume: 1780.4 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No